1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea

C21H23N3O4 — CID 50762086

IUPAC1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
SMILESCCCNc1c(NC(=O)Nc2cc(C)ccc2OC)c(=O)oc2ccccc12
InChIInChI=1S/C21H23N3O4/c1-4-11-22-18-14-7-5-6-8-16(14)28-20(25)19(18)24-21(26)23-15-12-13(2)9-10-17(15)27-3/h5-10,12,22H,4,11H2,1-3H3,(H2,23,24,26)
InChIKeyMLEAVIUNAAMBIR-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.58
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea

1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea (PubChem CID 50762086) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
PubChem CID50762086
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
SMILESCCCNc1c(NC(=O)Nc2cc(C)ccc2OC)c(=O)oc2ccccc12
InChIInChI=1S/C21H23N3O4/c1-4-11-22-18-14-7-5-6-8-16(14)28-20(25)19(18)24-21(26)23-15-12-13(2)9-10-17(15)27-3/h5-10,12,22H,4,11H2,1-3H3,(H2,23,24,26)
InChIKeyMLEAVIUNAAMBIR-UHFFFAOYSA-N
XLogP4.58
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 22433730
1-(2-chloro-4-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 35397147
1-(3-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 50762131
1-(4-chlorophenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 35397184
1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea
CID 54723744
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea
CID 35396955
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide
CID 22432408
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 22433735
1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea
CID 6471719
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea
CID 35396859
1-[[(2S)-oxolan-2-yl]methyl]-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 40639404
3,5-dimethyl-N-[2-oxo-4-(propylamino)chromen-3-yl]benzenesulfonamide
CID 50778760

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea (CID 50762086) is 1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea is CCCNc1c(NC(=O)Nc2cc(C)ccc2OC)c(=O)oc2ccccc12.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea?
The InChIKey is MLEAVIUNAAMBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-11-22-18-14-7-5-6-8-16(14)28-20(25)19(18)24-21(26)23-15-12-13(2)9-10-17(15)27-3/h5-10,12,22H,4,11H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea?
1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea has a molecular weight of 381.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea is sourced from PubChem (CID 50762086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).